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Homecas115-38-8

115-38-8

115-38-8 structural image
Product Name: MEPHOBARBITAL
Formula: C13H14N2O3
Synonyms: Methylphenobarbital
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form White crystals from water
Taste Tasteless
Melting Point 176 °C
Solubility Slightly soluble
LogP 1.84
Stability/Shelf Life Mephobarbital tablets should be store in well-closed containers at a temperature less than 40 °C, preferably between 15-30 °C. Commercially available mephobarbital tablets have an expiration date of 5 years following the date of manufacture.
Decomposition When heated to decomposition it emits toxic /nitrogen oxide/.
Dissociation Constants 7.8
Kovats Retention Index 1898 1869 1869 1895 1895 1883 1888 1875 1880 1875 1890 1885 1890 1890 1890 1874 1904.7 1904.7 1865.3 1876 1885 1895 1891 1885 1885

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H370:Specific target organ toxicity, single exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 246.26 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 246.10044231 g/mol
Monoisotopic Mass 246.10044231 g/mol
Topological Polar Surface Area 66.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 388
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Mephobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups. It has a role as an anticonvulsant.